CAS 159668-20-9

N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-N~2~-(naphthalen-2-ylsulfonyl)-L-asparaginyl-N-cyclopropylglycine hydrate (1:1)

Description:

N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-N~2~-(naphthalen-2-ylsulfonyl)-L-asparaginyl-N-cyclopropylglycine hydrate (1:1), with CAS number 159668-20-9, is a complex organic compound characterized by its multi-functional structure. It features a piperidine ring, which contributes to its potential biological activity, and a naphthalenesulfonyl group that enhances its solubility and reactivity. The presence of the L-asparagine moiety suggests potential interactions with biological systems, particularly in enzyme inhibition or receptor binding. The cyclopropylglycine component may influence its pharmacological properties, possibly affecting neurotransmitter systems. As a hydrate, it contains water molecules that can impact its stability and solubility. This compound is likely to be of interest in medicinal chemistry and drug development, particularly in the context of neuropharmacology or as a potential therapeutic agent. Its specific interactions and mechanisms of action would require further investigation through experimental studies to elucidate its full biological profile.

Formula: C₂₆H₃₆N₆O₇S

InChI: InChI=1/C26H34N6O6S.H2O/c27-26(28)31-11-3-4-17(15-31)14-29-23(33)13-22(25(36)32(16-24(34)35)20-8-9-20)30-39(37,38)21-10-7-18-5-1-2-6-19(18)12-21;/h1-2,5-7,10,12,17,20,22,30H,3-4,8-9,11,13-16H2,(H3,27,28)(H,29,33)(H,34,35);1H2/t17-,22-;/m0./s1

SMILES: c1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CC(=NC[C@@H]1CCCN(C1)C(=N)N)O)C(=O)N(CC(=O)O)C1CC1.O

Synonyms:

• N4-(((3S)-1-(Amino(imino)methyl)-3-piperidinyl)methyl)-N2-(2-naphthylsulfonyl)-L-asparaginyl-N-cyclopropylglycine Monohydrate
• Ro 46-6240/010

Napsagatran hydrate

CAS: 159668-20-9

Napsagatran hydrate is a novel and specific inhibitor of thrombin.

Formula: C₂₆H₃₆N₆O₇S

Purity: 98%

Color and Shape: Solid

Molecular weight: 576.66

Ref: TM-T16273